REMARK Name = BDB009452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.479 -2.815 0.926 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.859 -3.954 0.225 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.047 -4.695 -0.429 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.198 -4.326 0.173 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.160 -3.554 0.831 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.785 -2.415 1.563 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.431 -2.057 1.616 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -3.408 2.661 -2.320 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.684 1.771 -1.518 0.00 0.00 +0.248 C ATOM 10 N LIG 1 -2.727 0.897 -0.985 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -2.947 0.092 0.232 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.905 -1.415 -0.057 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.540 -1.919 -0.189 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.928 -2.394 0.977 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -1.485 -2.425 2.072 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -0.785 -1.429 -1.346 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -0.322 0.009 -1.128 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -1.369 1.053 -1.509 0.00 0.00 +0.109 C BRANCH 9 19 ATOM 19 C LIG 1 -5.095 1.635 -1.127 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -5.757 2.731 -0.595 0.00 0.00 +0.123 A ATOM 21 N LIG 1 -7.056 2.704 -0.210 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 -7.722 1.542 -0.400 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -7.151 0.407 -0.957 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -5.811 0.456 -1.335 0.00 0.00 +0.016 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 3.833 -1.562 2.238 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 4.504 -0.607 1.257 0.00 0.00 +0.087 A ATOM 27 C LIG 1 3.845 0.711 0.940 0.00 0.00 +0.059 A ATOM 28 N LIG 1 2.698 1.143 1.602 0.00 0.00 -0.342 N ATOM 29 H LIG 1 2.620 0.807 2.558 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 2.234 2.521 1.447 0.00 0.00 +0.102 C ATOM 31 C LIG 1 2.400 2.954 -0.006 0.00 0.00 +0.023 C ATOM 32 C LIG 1 3.845 2.755 -0.480 0.00 0.00 +0.044 C ATOM 33 C LIG 1 4.421 1.441 -0.029 0.00 0.00 +0.041 A ATOM 34 C LIG 1 5.672 0.982 -0.672 0.00 0.00 +0.270 A ATOM 35 O LIG 1 6.223 1.637 -1.552 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.185 -0.202 -0.214 0.00 0.00 -0.243 N ATOM 37 H LIG 1 7.040 -0.534 -0.648 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 5.613 -1.016 0.712 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4